input word = C00057704

Metabolite InformationStructural formula
Name Momordin Ie
Formula C46H72O17
Mw 896.47695088
CAS RN 96158-13-3
C_ID C00057704
InChIKey XQGKHFSVPNPHAB-UHFFFAOYSA-N
InChICode InChI=1S/C46H72O17/c1-41(2)14-16-46(40(56)57)17-15-44(6)21(22(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)60-39-35(63-38-31(52)29(50)24(48)20-59-38)33(32(53)34(62-39)36(54)55)61-37-30(51)28(49)23(47)19-58-37/h8,22-35,37-39,47-53H,9-20H2,1-7H3,(H,54,55)(H,56,57)
SMILES CC1(C)C(OC2C(OC3C(O)C(O)C(O)CO3)C(OC4OCC(O)C(O)C4O)C(O)C(C(O)=O)O2)CCC5(C)C6CC=C7C(C)(CCC8(C(O)=O)C7CC(C)(C)CC8)C6(C)CCC51
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica cochinchinensis Ref.
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